Abstract
Adsorption of NO on MgO ultrathin films grown on a Mo(100) substrate results in the formation of N 2 O at low temperature (120 K). In addition, small amounts of N 2 O are produced at 280 K. Isotope exchange experiments showthat the reaction does not involve lattice oxygens. Ab initio DFT/B3LYP cluster model calculations have been performed to understand the mechanism of the reaction. Various defect sites on the MgO surface have been considered. It is found that the reaction occurs preferentially at neutral oxygen vacancies (F centers) through the adsorption of a first NO molecule followed by the addition of a second NO; from the adsorbed dimer, N 2 O 2 , N 2 O forms with an activation barrier of about 0.1 eV, leaving a regular site instead of the original F center. This result is consistent with the experimental observation that subsequent exposure of the surface to NO results in a reduced production of N 2 O.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
